4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzonitrile
Chemical Structure Depiction of
4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzonitrile
4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzonitrile
Compound characteristics
| Compound ID: | 8008-1533 |
| Compound Name: | 4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzonitrile |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C16 H12 N2 O4 |
| Smiles: | C([C@]12C=C[C@H](C3C1C(N(C3=O)c1ccc(C#N)cc1)=O)O2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0271 |
| logD: | -0.0271 |
| logSw: | -1.1337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.167 |
| InChI Key: | CMTHHOGCMLQNDL-UHFFFAOYSA-N |